3-[4-(2-methylhexan-2-yl)-2-oxidanyl-phenyl]cyclohexan-1-one

Systemtic Name: 3-[4-(2-methylhexan-2-yl)-2-oxidanyl-phenyl]cyclohexan-1-one Openeye Name: 3-[4-(1,1-dimethylpentyl)-2-hydroxy-phenyl]cyclohexanone CAS Name: 3-[2-hydroxy-4-(2-methylhexan-2-yl)phenyl]-1-cyclohexanone IUPAC Name: 3-[2-hydroxy-4-(2-methylhexan-2-yl)phenyl]cyclohexan-1-one Traditional Name: 3-[4-(1,1-dimethylpentyl)-2-hydroxy-phenyl]cyclohexanone Formula: C19H28O2 MolecularWeight: 288.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(=O)C2)O

Isomeric SMILES

CCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(=O)C2)O

InChI

InChI=1S/C19H28O2/c1-4-5-11-19(2,3)15-9-10-17(18(21)13-15)14-7-6-8-16(20)12-14/h9-10,13-14,21H,4-8,11-12H2,1-3H3